SCHEMBL6875978

SCHEMBL6875978

[CH2]c1cc(CBr)ccc1COC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PPARG P37231 1/20 0.47
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3280491 0.87 TDP1 (0.56) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL4650584 0.79 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28984037 0.78 TDP1 (0.69) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL6154855 0.76 TDP1 (0.53) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL6245188 0.76 PPARG (0.61) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL16758178 0.75 TDP1 (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6564486 0.75 TDP1 (0.54) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL6511919 0.74 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6472102 0.74 TDP1 (0.57) KMT2ATDP1SLC6A2SLC6A3PPARG
SCHEMBL5085480 0.73 PPARG (0.71) KMT2ATDP1SLC6A2SLC6A3PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed